IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Fluorene-9-14C
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016496
Phytochemical name:
Fluorene-9-14C
Synonymous chemical names:
9h-fluorene
External chemical identifiers:
CID:12214725
Chemical structure information
SMILES:
c1ccc2-c3c([14CH2]c2c1)cccc3
InChI:
InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2/i9+2
InChIKey:
NIHNNTQXNPWCJQ-FOQJRBATSA-N
DeepSMILES:
cccc-cc[14CH2]c5c9)))cccc6
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc2c(c1)Cc1ccccc1-2
Scaffold Graph/Node level:
C1CCC2C(C1)CC1CCCCC12
Scaffold Graph level:
C1CCC2C(C1)CC1CCCCC12
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Benzenoids
ClassyFire Class:
Fluorenes
NP Classifier Biosynthetic pathway:
Shikimates and Phenylpropanoids
NP-Likeness score:
-0.101
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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